SCHEMBL818735

SCHEMBL818735

O=C(O)[C@@H]1C(O)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CYP2C19 P33261 1/20 0.52
AGTR2 P50052 5/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
F2 P00734 2/20 0.48
ELANE P08246 2/20 0.48
CTSG P08311 1/20 0.48
PREP P48147 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29613583 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL21874593 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL4920606 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL820518 1.00 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL16857371 0.93 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL19234258 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL19592114 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL2678862 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
Hydrochloric Acid SCHEMBL5409774 0.92 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2
SCHEMBL13547241 0.91 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015179952-A1 A METABOLITE PANEL FOR IMPROVED SCREENING AND DIAGNOSTIC TESTING OF CYSTIC FIBROSIS MCMASTER UNIVERSITY (CA) 2015-12-03 WO claimed
WO-2015179952-A1 A METABOLITE PANEL FOR IMPROVED SCREENING AND DIAGNOSTIC TESTING OF CYSTIC FIBROSIS MCMASTER UNIVERSITY (CA) 2015-12-03 WO disclosed
EP-1692157-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2013-04-17 EP disclosed
EP-2573083-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-27 EP disclosed
US-8217048-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
EP-2361925-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-31 EP disclosed
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOROPRATED (US) 2011-05-05 US disclosed
CN-101951766-A Inhibitor of apoptosis-inhibiting protein TETRALOGIC PHARMACEUTICAL CORP 2011-01-19 CN disclosed
EP-0748331-A1 MODIFIED OLIGONUCLEOTIDE DUPLEXES HAVING ANTICANCER ACTIVITY EPOCH PHARMACEUTICALS, INC. (US) 1996-12-18 EP disclosed
US-5512667-A Trifunctional intermediates for preparing 3'-tailed oligonucleotides DRUG ROYALTY LP1 (CA) 1996-04-30 US disclosed
WO-1995023162-A1 MODIFIED OLIGONUCLEOTIDE DUPLEXES HAVING ANTICANCER ACTIVITY MICROPROBE CORPORATION (US) 1995-08-31 WO disclosed
US-5419966-A Solid support for synthesis of 3'-tailed oligonucleotides MICROPROBE CORPORATION (US) 1995-05-30 US disclosed
EP-0547142-A4 MICROPROBE CORP (US) 1995-01-18 EP disclosed
US-5280034-A Bis-heterocyclic prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1994-01-18 US disclosed
WO-1993020094-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR QUINOLINE ABBOTT LABORATORIES (US) 1993-10-14 WO disclosed
EP-0547142-A1 SOLID SUPPORT SYNTHESIS OF 3'-TAILED OLIGONUCLEOTIDES VIA A LINKING MOLECULE EPOCH PHARMACEUTICALS, INC. (US) 1993-06-23 EP disclosed
WO-1992003464-A1 SOLID SUPPORT SYNTHESIS OF 3'-TAILED OLIGONUCLEOTIDES VIA A LINKING MOLECULE MICROPROBE CORPORATION (US) 1992-03-05 WO disclosed
US-4241076-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-12-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 SMN1; SMN2 1875/4885NPC1 2535/4885RAB9A 2105/4885
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2459/4885NPC1 447/4885RAB9A 2908/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.